3-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(6-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(6-aminopurin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-adenin-9-yl-2-(tert-butoxycarbonylamino)propionic acid Formula: C13H18N6O4 MolecularWeight: 322.31982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=NC2=C1N=CN=C2N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C=NC2=C1N=CN=C2N)C(=O)O

InChI

InChI=1S/C13H18N6O4/c1-13(2,3)23-12(22)18-7(11(20)21)4-19-6-17-8-9(14)15-5-16-10(8)19/h5-7H,4H2,1-3H3,(H,18,22)(H,20,21)(H2,14,15,16)